Geometry & MOs

Info

ID:	70245
PubChem CID:	48409705
Reduced:	F3N3O3C19H22 (1)
Stoich.:	A3B3C3D19E22 (1)
Weight, g/mol:	419.112662
ΔH_f, kcal/mol:	-230.46
Dipole, Da:	7.84
IP(EA), eV:	-8.99(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-(trifluoromethylsulfonyl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CCOC)C)CNC(=O)/C=C/C2=CC=CC=C2OC(F)(F)F

DOS

IR

Vibrations